1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride

C12H15Cl2F3N2O2S — CID 24746798

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride
SMILESCN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1.Cl
InChIInChI=1S/C12H14ClF3N2O2S.ClH/c1-17-4-6-18(7-5-17)21(19,20)11-8-9(12(14,15)16)2-3-10(11)13;/h2-3,8H,4-7H2,1H3;1H
InChIKeyPRUPHIIINBIXSV-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.72
Rot. Bonds2

About 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride

1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride (PubChem CID 24746798) has the molecular formula C12H15Cl2F3N2O2S and a molecular weight of 379.23 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride
PubChem CID24746798
Molecular FormulaC12H15Cl2F3N2O2S
Molecular Weight379.23 g/mol
Exact Mass378.02
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride
SMILESCN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1.Cl
InChIInChI=1S/C12H14ClF3N2O2S.ClH/c1-17-4-6-18(7-5-17)21(19,20)11-8-9(12(14,15)16)2-3-10(11)13;/h2-3,8H,4-7H2,1H3;1H
InChIKeyPRUPHIIINBIXSV-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride (CID 24746798) is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride is CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1.Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride?
The InChIKey is PRUPHIIINBIXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S.ClH/c1-17-4-6-18(7-5-17)21(19,20)11-8-9(12(14,15)16)2-3-10(11)13;/h2-3,8H,4-7H2,1H3;1H.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride?
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride has a molecular weight of 379.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 24746798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).